36 research outputs found

    Many-body dispersion effects in the binding of adsorbates on metal surfaces

    Get PDF
    A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work we demonstrate the importance of collective van der Waals dispersion effects beyond the pairwise approximation for organic--inorganic systems on the example of atoms, molecules, and nanostructures adsorbed on metals. We use the recently developed many-body dispersion (MBD) approach in the context of density-functional theory [Phys. Rev. Lett. 108, 236402 (2012); J. Chem. Phys. 140, 18A508 (2014)] and assess its ability to correctly describe the binding of adsorbates on metal surfaces. We briefly review the MBD method and highlight its similarities to quantum-chemical approaches to electron correlation in a quasiparticle picture. In particular, we study the binding properties of xenon, 3,4,9,10-perylene-tetracarboxylic acid (PTCDA), and a graphene sheet adsorbed on the Ag(111) surface. Accounting for MBD effects we are able to describe changes in the anisotropic polarizability tensor, improve the description of adsorbate vibrations, and correctly capture the adsorbate--surface interaction screening. Comparison to other methods and experiment reveals that inclusion of MBD effects improves adsorption energies and geometries, by reducing the overbinding typically found in pairwise additive dispersion-correction approaches

    Competence Framework for Sustainable Construction Safety: ISHCCO proposal

    Get PDF
    Main topics/tracks Accident forensics Company-based safety management systems Digital work management Digitalisation Education, training and lifelong learning Emerging/new technologies, materials and practices Future trends and emergent issues High risk activities - safety in action Injury prevention by campaigns Methods and approaches to labor inspection Research into practice Risk and prevention during pandemic Risk Management and safety culture Safety culture Safety II Safety Regulation Safety/Risk Management systems Vision Zero Othe

    Electron Diffraction Experiments using Laser Plasma Electrons

    Get PDF
    We demonstrate that electrons emitted from a laser plasma can be used to generate diffraction patterns in reflection and transmission. The electrons are emitted in the direction of laser polarization with energies up to 100 keV. The broad electron energy spectrum makes possible the generation of a ''streaked'' diffraction pattern which allows recording fast processes in a single run

    ISHCCO Qualification Framework For Construction Safety Coordinators

    Get PDF
    ISHCCO (International Safety and Health Construction Coordinators Organization - www.ishcco.org) represents an European umbrella association of the national professional associations of Health and Safety Construction Coordinators (HSCC). One of the statutory aims of ISHCCO is to promote excellence in education, training and professional development in the countries of the national members. Since ISHCCO was founded in 2003 it has been working on the development of such a catalogue of criteria for the promotion and acceptance of qualification framework for HSCC. The ISHCCO qualification framework (IQF) developed enables benchmarking based on technical standards and European legislation complying with international and national criteria. IQF, like the European Qualification Framework, has three dimensions for the competences of HSCC: knowledge, skills and attitudes. What is described is the process followed to define these competences, the application of IQF for levels 5, 6 and 7 of EQF (technician, bachelor and master) and the connection with the European Directive 92/57 about temporary or mobile construction sites. The types of projects considered in IQF include requirements for simple projects, medium building construction and civil engineering projects and highly specialized construction projects or major projects. The target groups in construction are experts, institutions, professional associations, chambers of commerce, construction sector companies, authorities and building owner/clients. IQF can be used to define learning outcomes of HSCC training courses and respective contents and assessment

    Versuche, Schmiedeeisen mit Leuchtgas, Petroleumdampf, Acetylen und Kohlenoxydgas zu kohlen

    No full text
    corecore